ethyl 3-[(3-cyanophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(3-cyanophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(3-cyanophenyl)carbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[(3-cyanoanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyanophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(3-cyanophenyl)thiocarbamoyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H19N3O3S/c1-2-23-17(22)8-9-21(13-16-7-4-10-24-16)18(25)20-15-6-3-5-14(11-15)12-19/h3-7,10-11H,2,8-9,13H2,1H3,(H,20,25)